SCHEMBL7996047

SCHEMBL7996047

Cc1ccc(S(=O)(=O)NCc2c[nH]c3ncc(-c4ccccc4)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ATM Q13315 1/20 0.48
CA9 Q16790 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AXL P30530 2/20 0.47
CDK8 P49336 1/20 0.47
TNIK Q9UKE5 1/20 0.47
GSK3B P49841 1/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CD O00329 1/20 0.46
PIK3R1 P27986 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
NTRK1 P04629 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL859104 0.85 AXL (0.50) MEN1KMT2AAXLCDK8PIK3CA
SCHEMBL7988800 0.83 MEN1 (0.46) MEN1KMT2ACA12CYP1A2CYP3A4
SCHEMBL858951 0.81 TNIK (0.58) CYP3A4TNIKNTRK1SGK1
SCHEMBL7960827 0.79 MEN1 (0.52) MEN1KMT2ACA12CYP1A2CYP3A4
SCHEMBL25247387 0.75 NR3C1 (0.66) MEN1KMT2ACA12CYP1A2CYP3A4
SCHEMBL8941798 0.73 AXL (0.69) AXLCDK8TNIKPIK3CAPIK3CD
SCHEMBL11929047 0.72 AXL (0.68) AXLCDK8TNIKGSK3BNTRK1
SCHEMBL14845846 0.72 LRRK2 (0.52) MEN1KMT2ACA12CYP1A2CYP3A4
SCHEMBL857784 0.72 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1THRB
SCHEMBL29019313 0.70 CA12 (0.82) MEN1KMT2ACA12CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 MEN1 4089/4885KMT2A 2346/4885CA12 4753/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885CA12 4791/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885CA12 4791/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885CA12 4791/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885CA12 4791/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885CA12 4791/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885CA12 4791/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885CA12 4791/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885CA12 4791/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.